1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

C15H20FN3O — CID 116801808

IUPAC1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H20FN3O/c1-10(2)19-9-12(8-18-19)20-14-7-5-6-13(16)15(14)11(3)17-4/h5-11,17H,1-4H3
InChIKeyNBYRHRYNTGBYKM-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (PubChem CID 116801808) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
PubChem CID116801808
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H20FN3O/c1-10(2)19-9-12(8-18-19)20-14-7-5-6-13(16)15(14)11(3)17-4/h5-11,17H,1-4H3
InChIKeyNBYRHRYNTGBYKM-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 55130668
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (CID 116801808) is 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Oc1cnn(C(C)C)c1.
What is the InChIKey of 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The InChIKey is NBYRHRYNTGBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)19-9-12(8-18-19)20-14-7-5-6-13(16)15(14)11(3)17-4/h5-11,17H,1-4H3.
What are the key properties of 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is sourced from PubChem (CID 116801808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).